3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole

C128H122BBr2IN4O2 — CID 158024690

IUPAC3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(I)cc1.CCCCCCC1(CCCCCC)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc(Br)ccc54)cc3)cc21.CCCCCCC1(CCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C61H55BrN2.C49H56BNO2.C18H11BrIN/c1-3-5-7-15-37-61(38-16-8-6-4-2)55-39-44(42-23-30-47(31-24-42)63-57-20-12-9-17-51(57)52-18-10-13-21-58(52)63)27-34-49(55)50-35-28-45(40-56(50)61)43-25-32-48(33-26-43)64-59-22-14-11-19-53(59)54-41-46(62)29-36-60(54)64;1-7-9-11-17-31-49(32-18-12-10-8-2)43-33-36(25-29-39(43)40-30-26-37(34-44(40)49)50-52-47(3,4)48(5,6)53-50)35-23-27-38(28-24-35)51-45-21-15-13-19-41(45)42-20-14-16-22-46(42)51;19-12-5-10-18-16(11-12)15-3-1-2-4-17(15)21(18)14-8-6-13(20)7-9-14/h9-14,17-36,39-41H,3-8,15-16,37-38H2,1-2H3;13-16,19-30,33-34H,7-12,17-18,31-32H2,1-6H3;1-11H
InChIKeyFGLRHUOLYPIBSS-UHFFFAOYSA-N
MW2045.93 g/mol
LogP37.29
Rot. Bonds28

About 3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole

3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole (PubChem CID 158024690) has the molecular formula C128H122BBr2IN4O2 and a molecular weight of 2045.93 g/mol. Its IUPAC name is 3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole
PubChem CID158024690
Molecular FormulaC128H122BBr2IN4O2
Molecular Weight2045.93 g/mol
Exact Mass2042.71
IUPAC Name3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(I)cc1.CCCCCCC1(CCCCCC)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc(Br)ccc54)cc3)cc21.CCCCCCC1(CCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C61H55BrN2.C49H56BNO2.C18H11BrIN/c1-3-5-7-15-37-61(38-16-8-6-4-2)55-39-44(42-23-30-47(31-24-42)63-57-20-12-9-17-51(57)52-18-10-13-21-58(52)63)27-34-49(55)50-35-28-45(40-56(50)61)43-25-32-48(33-26-43)64-59-22-14-11-19-53(59)54-41-46(62)29-36-60(54)64;1-7-9-11-17-31-49(32-18-12-10-8-2)43-33-36(25-29-39(43)40-30-26-37(34-44(40)49)50-52-47(3,4)48(5,6)53-50)35-23-27-38(28-24-35)51-45-21-15-13-19-41(45)42-20-14-16-22-46(42)51;19-12-5-10-18-16(11-12)15-3-1-2-4-17(15)21(18)14-8-6-13(20)7-9-14/h9-14,17-36,39-41H,3-8,15-16,37-38H2,1-2H3;13-16,19-30,33-34H,7-12,17-18,31-32H2,1-6H3;1-11H
InChIKeyFGLRHUOLYPIBSS-UHFFFAOYSA-N
XLogP37.29
TPSA38.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002045.93
LogP ≤ 537.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole with MolForge

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Related Compounds

9-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]carbazole
CID 11850072
2,7-dibromo-9-[9,9-didodecyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]carbazole
CID 177385648
7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 163496645
4-bromo-N,N-diphenylaniline;4-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-N,N-diphenylaniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 160683905
3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 159493600
5,5-dihexyl-2,8-diiodobenzo[b][1]benzosilole;2-(9,9-dihexyl-7-phenylfluoren-2-yl)-5,5-dihexyl-8-phenylbenzo[b][1]benzosilole;2-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157199217
bis(2,7-bis(4-bromo-2-methylphenyl)-9,9-dihexylfluorene);bis(4-bromo-1-iodo-2-methylbenzene);bis(dichloropalladium);bis(2-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);tetrakis(triphenylphosphane)
CID 159271884
3-bromo-6-phenyl-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158301935
9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
CID 158091716
9-[4-[(E)-2-[7-[7-[7-[7-[7-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 164784808
(4-methylphenyl)-[4-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-phenyl-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 123637096
3-(8-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-phenyl-3-[8-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;9-phenyl-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-yl]carbazole
CID 159896388

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole?
The IUPAC name of 3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole (CID 158024690) is 3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole?
The canonical SMILES for 3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1ccc(I)cc1.CCCCCCC1(CCCCCC)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc(Br)ccc54)cc3)cc21.CCCCCCC1(CCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.
What is the InChIKey of 3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole?
The InChIKey is FGLRHUOLYPIBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H55BrN2.C49H56BNO2.C18H11BrIN/c1-3-5-7-15-37-61(38-16-8-6-4-2)55-39-44(42-23-30-47(31-24-42)63-57-20-12-9-17-51(57)52-18-10-13-21-58(52)63)27-34-49(55)50-35-28-45(40-56(50)61)43-25-32-48(33-26-43)64-59-22-14-11-19-53(59)54-41-46(62)29-36-60(54)64;1-7-9-11-17-31-49(32-18-12-10-8-2)43-33-36(25-29-39(43)40-30-26-37(34-44(40)49)50-52-47(3,4)48(5,6)53-50)35-23-27-38(28-24-35)51-45-21-15-13-19-41(45)42-20-14-16-22-46(42)51;19-12-5-10-18-16(11-12)15-3-1-2-4-17(15)21(18)14-8-6-13(20)7-9-14/h9-14,17-36,39-41H,3-8,15-16,37-38H2,1-2H3;13-16,19-30,33-34H,7-12,17-18,31-32H2,1-6H3;1-11H.
What are the key properties of 3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole?
3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole has a molecular weight of 2045.93 g/mol, XLogP of 37.29, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole is sourced from PubChem (CID 158024690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).